1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole

C21H25N3O — CID 56887622

IUPAC1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole
SMILESCn1c(CN2CCC(OCc3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C21H25N3O/c1-23-19(13-18-6-2-3-7-21(18)23)15-24-11-8-20(9-12-24)25-16-17-5-4-10-22-14-17/h2-7,10,13-14,20H,8-9,11-12,15-16H2,1H3
InChIKeySUVHYISFUOFHSY-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.75
Rot. Bonds5

About 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole

1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole (PubChem CID 56887622) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole
PubChem CID56887622
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole
SMILESCn1c(CN2CCC(OCc3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C21H25N3O/c1-23-19(13-18-6-2-3-7-21(18)23)15-24-11-8-20(9-12-24)25-16-17-5-4-10-22-14-17/h2-7,10,13-14,20H,8-9,11-12,15-16H2,1H3
InChIKeySUVHYISFUOFHSY-UHFFFAOYSA-N
XLogP3.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole?
The IUPAC name of 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole (CID 56887622) is 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole.
What is the SMILES notation for 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole?
The canonical SMILES for 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole is Cn1c(CN2CCC(OCc3cccnc3)CC2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole?
The InChIKey is SUVHYISFUOFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-19(13-18-6-2-3-7-21(18)23)15-24-11-8-20(9-12-24)25-16-17-5-4-10-22-14-17/h2-7,10,13-14,20H,8-9,11-12,15-16H2,1H3.
What are the key properties of 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole?
1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole has a molecular weight of 335.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indole is sourced from PubChem (CID 56887622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).